Geometry & MOs

Info

ID:

314495

PubChem CID:

126621933

Reduced:

FO3N5H16C22 (1)

Stoich.:

AB3C5D16E22 (1)

Weight, g/mol:

538.194023

ΔHf, kcal/mol:

-11.17

Dipole, Da:

6.56

IP(EA), eV:

 -8.9(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[(3-methoxyazetidin-1-yl)methyl]-6-morpholin-4-yl-4-[2-(trifluoromethyl)-1H-indol-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)C=O)C5=C(C=CC6=C5C=CN6)F

DOS

IR

Vibrations